SACADA 3D

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Array
(
    [0] => Array
        (
            [id] => 1062
            [topology] => 4<sup>5</sup>T28
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(15)(19)9]
            [space_group] => Pmma
            [pearson] => oP36
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T28
            [sp_atoms] => 
            [caid] => 250
            [nn] => 0
            [name] => 
            [pressure] => 
            [density] => 3.426
            [e_gap] => 
            [energy] => 0.734
            [bulk_mod] => 423.4
            [shear_mod] => 467.0
            [vicker_hard] => 87.2
            [ref_file] => 
            [publ_year] => 
            [ref] => 
        )

    [1] => Array
        (
            [id] => 1063
            [topology] => 4<sup>5</sup>T28
            [link_rcsr] => 
            [in_col] => 5
            [transitivity] => [5(15)(19)9]
            [space_group] => Pmma
            [pearson] => oP36
            [cn] => 4
            [Year] => 2015
            [cn_sort] => 004-
            [topology_str] => 4<sup>5</sup>T28
            [sp_atoms] => 
            [caid] => 250
            [nn] => 1
            [name] => (9,0)
            [pressure] => 45
            [density] => 3.53
            [e_gap] => 4.81
            [energy] => 
            [bulk_mod] => 441
            [shear_mod] => 
            [vicker_hard] => 
            [ref_file] => /References/2015_ChinPhysB_066102
            [publ_year] => 2015
            [ref] => 
        )

)

SACADA Database Code: 250

Topology: 4⁵T28

# of independent nodes (IN): 5
Transitivity: [5(15)(19)9]
Space Group: Pmma
Pearson: oP36
Coordination Number (CN): 4

Year: 2015

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Data

Name	Pressure, GPa	Density, g/cm³	Gap, eV	Relative energy, eV/atom	Bulk, GPa	Shear, GPa	Vickers, GPa	Refs
4⁵T28 (SACADA #250)		3.426		0.734	423.4	467.0	87.2	SACADA¹
(9,0)	45	3.53	4.81		441			doi: 10.1088/1674-1056/24/6/066102

Elasticity tensor (kBar)¹

11004.2013	1603.5976	510.0673	-0.0000	-0.0000	0.0000
1603.5976	10522.1117	102.2774	-0.0000	0.0000	-0.0000
510.0673	102.2774	12165.2184	-0.0000	-0.0000	0.0000
-0.0000	-0.0000	-0.0000	4641.8213	0.0000	0.0000
-0.0000	0.0000	-0.0000	0.0000	4279.7374	0.0000
0.0000	-0.0000	0.0000	0.0000	0.0000	4126.6211

¹ We apply the density functional theory (DFT) approach by using the Vienna Ab Initio Simulation Package (VASP) to calculate the total energy and properties of carbon allotropes.

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Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976